Mol:EEL3034
Copyright: ARM project http://www.metabolome.jp/
101101 0 0 0 0 0 0 0 0999 V2000
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0 -3.0776 -1.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3633 -0.8549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5462 1.8954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6888 1.8954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8315 1.8954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9355 -0.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0783 -0.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2207 -0.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3633 -0.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2032 1.4721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7845 0.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2534 -0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8347 -0.8561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9986 1.1068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0278 0.2154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7752 -1.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0607 -0.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3466 -1.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6322 -0.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9179 -1.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2036 -0.8561 0.0000 C 0 0 0 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0 0 0 0 0 0 0 0 1.3068 1.0519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5926 0.6394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1218 1.0519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8364 0.6394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3466 -2.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4891 -2.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6318 -2.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2256 -2.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7358 -0.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8785 -0.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0210 -0.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8364 -0.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5451 1.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0365 -0.8530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9739 1.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5487 1.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5487 -1.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3100 -2.2932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 3 4 2 0 3 5 1 0 3 6 1 0 8 9 1 0 9 10 1 0 8 12 1 0 8 11 1 0 13 10 1 0 14 13 1 0 15 14 1 0 16 15 1 0 17 16 1 0 18 17 1 0 19 18 1 0 20 19 1 0 21 20 1 0 22 21 1 0 23 22 1 0 24 23 1 0 25 24 1 0 26 25 1 0 27 26 1 0 28 27 1 0 30 29 1 0 31 30 1 0 32 31 1 0 33 32 1 0 34 33 1 0 35 34 1 0 36 35 1 0 37 36 1 0 38 37 1 0 39 38 1 0 40 39 1 0 41 40 1 0 42 41 1 0 43 42 1 0 11 29 1 0 15 44 1 0 19 45 1 0 23 46 1 0 31 47 1 0 35 48 1 0 39 49 1 0 43 50 1 0 51 52 1 0 52 53 1 0 53 54 1 0 52 56 1 0 52 55 1 0 57 54 1 0 58 57 1 0 59 58 1 0 60 59 1 0 61 60 1 0 62 61 1 0 63 62 1 0 64 63 1 0 65 64 1 0 66 65 1 0 67 66 1 0 68 67 1 0 69 68 1 0 70 69 1 0 71 70 1 0 74 73 1 0 75 74 1 0 76 75 1 0 77 76 1 0 78 77 1 0 79 78 1 0 80 79 1 0 81 80 1 0 82 81 1 0 83 82 1 0 84 83 1 0 85 84 1 0 86 85 1 0 87 86 1 0 55 73 1 0 59 88 1 0 63 89 1 0 67 90 1 0 71 91 1 0 75 92 1 0 79 93 1 0 83 94 1 0 87 95 1 0 43 72 1 0 28 96 1 0 72 97 1 0 87 96 1 0 71 97 1 0 51 2 1 0 27 98 1 0 5 99 1 0 1 7 1 0 8100 1 0
100101 1 0 101 7 1 0 A 1 Glc A 7 Glc A 99 Ino S SKP 5 ID EEL3034 FORMULA C89H179O9P EXACTMASS 1423.328673836 AVERAGEMASS 1424.341921 SMILES C(C1)CC(C)CCCC(CCCC(CCOC([H])(COCC)COCCC(CCCC(C)CCCC(C)CCCC(CCC(CCCC(CCCC(CCCC(CCOC([H])(COCCC(CCCC(CCCC(CCCC(CCC1C)C)C)C)C)COP(OC)(O)=O)C)C)C)C)C)C)C)C M END
